1595209 logo
canSAR1595209
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Oc1c(C(c2ccccc2)N2CCC3(CC2)OCCO3)sc2nc(-c3ccco3)nn12
    InChI
    InChI=1S/C22H22N4O4S/c27-20-18(31-21-23-19(24-26(20)21)16-7-4-12-28-16)17(15-5-2-1-3-6-15)25-10-8-22(9-11-25)29-13-14-30-22/h1-7,12,17,27H,8-11,13-14H2
    MOLECULAR FORMULA
    C22H22N4O4S
    CROSS REFERENCES
    1595209 logo

    canSAR1595209

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.14
    AlogP 3.68
    HBond donors 1
    HBond acceptors 8
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1595209.